7-methyl-4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[[5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[[5-(4-phenoxyanilino)-1,3,4-thiadiazol-2-yl]thio]methyl]coumarin Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NN=C(S3)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S2/c1-16-7-12-21-17(14-23(29)31-22(21)13-16)15-32-25-28-27-24(33-25)26-18-8-10-20(11-9-18)30-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,26,27)